N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C20H32N2O4S — CID 126770196

IUPACN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)C2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C20H32N2O4S/c1-15(2)13-26-17-10-8-16(9-11-17)20(3,4)14-21-19(23)18-7-6-12-22(18)27(5,24)25/h8-11,15,18H,6-7,12-14H2,1-5H3,(H,21,23)
InChIKeyZIQPSXWNJOUCJG-UHFFFAOYSA-N
MW396.55 g/mol
LogP2.54
Rot. Bonds8

About N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide

N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 126770196) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID126770196
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)COc1ccc(C(C)(C)CNC(=O)C2CCCN2S(C)(=O)=O)cc1
InChIInChI=1S/C20H32N2O4S/c1-15(2)13-26-17-10-8-16(9-11-17)20(3,4)14-21-19(23)18-7-6-12-22(18)27(5,24)25/h8-11,15,18H,6-7,12-14H2,1-5H3,(H,21,23)
InChIKeyZIQPSXWNJOUCJG-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126794993
2-(cyclopropylmethylamino)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]acetamide
CID 119778674
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]piperidine-3-carboxamide;hydrochloride
CID 119320715
3-(hydroxymethyl)-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]pyrrolidine-1-carboxamide
CID 111444071
2-methyl-1-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]guanidine;hydroiodide
CID 111107736
2,2-dimethyl-3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 81368766
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-2-pyrrolidin-2-ylacetamide
CID 119778688
2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 124585096
2-[4-[2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]ethyl]phenoxy]acetic acid
CID 119255649
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]cyclopropanamine
CID 62595732
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
(2S)-2-amino-3-methyl-N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]butanamide
CID 86813594

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 126770196) is N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide is CC(C)COc1ccc(C(C)(C)CNC(=O)C2CCCN2S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is ZIQPSXWNJOUCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-15(2)13-26-17-10-8-16(9-11-17)20(3,4)14-21-19(23)18-7-6-12-22(18)27(5,24)25/h8-11,15,18H,6-7,12-14H2,1-5H3,(H,21,23).
What are the key properties of N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 396.55 g/mol, XLogP of 2.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126770196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).